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Basic information
- CAS
396-31-6- Standard SMILES
Fc1cnc2ccccc2c1- InChIKey
UFIGOYSEDNHKGT-UHFFFAOYSA-N- Molecular formula
- C9H6FN
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 147.04842741
Overview
has no mutagenic activity; structure given in first source
Names & identifiers
- Preferred name
- 3-Fluoroquinoline
- IUPAC
- 3-fluoroquinoline
- English name
- 3-FLUOROQUINOLINE
- Molecular formula
- C9H6FN
- Molecular weight
- 147.15
Names & synonyms
3-Fluoroquinoline396-31-6NSC-72370K7451O19MLDTXSID40192711RefChem:911331DTXCID80115202Quinoline, 3-fluoro-MFCD00234493NSC 72370CCRIS 2893UNII-K7451O19ML
Show more names
FLUOROQUINOLINE, 3-SCHEMBL426440SCHEMBL558535SCHEMBL1926312SCHEMBL4365682SCHEMBL4397412SCHEMBL5779540SCHEMBL6360076
Database identifiers
- CAS
396-31-6- PubChem CID
- 96405
- DTXSID
DTXSID40192711- ChEMBL
CHEMBL1162362- UNII
- K7451O19ML
- Nikkaji
- J371.935I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 4 · 4-5℃
- Boiling point
- 238 ℃ · 238℃
- Density
- 1.216 · 1.216
- refractive index
- 1.5902 · 1.5902
- Flash point
- 98 ℃ · 98℃
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 7451 O19ML · K7451O19ML
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers29 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司
Related reactions
11 records
Compound notes
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